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4-BUTYL-1-METHYL-(+)-(R)-2-O-(4'-HYDROXY-3'-METHOXYBENZOYL)-MALATE
SpectraBase Compound ID 6GDMBIOF1kZ
InChI InChI=1S/C17H22O8/c1-4-5-8-24-15(19)10-14(17(21)23-3)25-16(20)11-6-7-12(18)13(9-11)22-2/h6-7,9,14,18H,4-5,8,10H2,1-3H3/t14-/m1/s1
InChIKey PQHZYWVEEQWOOP-CQSZACIVSA-N
Mol Weight 354.36 g/mol
Molecular Formula C17H22O8
Exact Mass 354.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GO4Dzhaod7W
Name 4-BUTYL-1-METHYL-(+)-(R)-2-O-(4'-HYDROXY-3'-METHOXYBENZOYL)-MALATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O8
InChI InChI=1S/C17H22O8/c1-4-5-8-24-15(19)10-14(17(21)23-3)25-16(20)11-6-7-12(18)13(9-11)22-2/h6-7,9,14,18H,4-5,8,10H2,1-3H3/t14-/m1/s1
InChIKey PQHZYWVEEQWOOP-CQSZACIVSA-N
Literature Reference Author Z.B.JIANG,B.Y.JIANG,C.G.ZHU,Q.L.GUO,Y.PENG,X.L.WANG,S.LIN,J. G.SHI
Literature Reference Citation J.AS.NAT.PROD.RES.,16,891(2014)
Literature Reference DOI 10.1080/10286020.2014.939585
Molecular Weight 354.357 g/mol
Solvent ACETONE-D6
Source File Reference UWPA9236